HRID317115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID12845045

1-Methyl-1H-pyrazole-3-carbonyl chloride

C5H5ClN2O

结构：Cc1cccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1

HCID58358605

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccn(C)n2)(C4)C3)n1

HCID44633205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a263da18434e4f7c8ce8eeefb9717312
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:31][n:32]1[n:33][c:34]([C:37](=[O:38])[Cl:39])[cH:35][cH:36]1.[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:40][CH2:41][Cl:42].[NH2:1][C:2]12[CH2:3][C:4]3([NH:12][C:13](=[O:14])[c:15]4[n:16][c:17]([CH3:21])[cH:18][cH:19][cH:20]4)[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2>>[NH:1]([C:2]12[CH2:3][C:4]3([NH:12][C:13](=[O:14])[c:15]4[n:16][c:17]([CH3:21])[cH:18][cH:19][cH:20]4)[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2)[C:37]([c:34]1[n:33][n:32]([CH3:31])[cH:36][cH:35]1)=[O:38]